SCHEMBL30164086

SCHEMBL30164086

O=c1[nH]c2ccccc2nc1CCl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.70
▸ ALDH1A1 P00352 9/20 0.66
▸ HSD17B10 Q99714 5/20 0.66
▸ HPGD P15428 5/20 0.66
▸ HTT P42858 2/20 0.66
▸ GAA P10253 2/20 0.66
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PLAUR Q03405 1/20 0.56
▸ PKM P14618 1/20 0.54
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CASP1 P29466 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29232559 1.00 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL28135101 0.82 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL29992538 0.82 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL1161820 0.82 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL1905589 0.82 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL13694770 0.82 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL6490997 0.79 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL29790286 0.79 NPC1 (0.69) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL30868868 0.79 KDM4E (0.76) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL11239794 0.78 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 — — CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 — — EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 — — WO disclosed
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